3-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile Openeye Name: 3-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propanenitrile CAS Name: 3-[methyl-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]propanenitrile IUPAC Name: 3-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile Traditional Name: 3-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propionitrile Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CN(CCC#N)C1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C13H18N4O3S/c1-16(6-2-5-14)13-4-3-12(11-15-13)21(18,19)17-7-9-20-10-8-17/h3-4,11H,2,6-10H2,1H3/p+1